ergo
tdhf_dynamics.h File Reference

Implementation of TDHF electron dynamics, explicitly propagating the electron density in time in the precence of a time-dependent electric field. More...

#include "basisinfo.h"
#include "matrix_typedefs.h"
#include "scf.h"
#include "electron_dynamics.h"

Go to the source code of this file.

Functions

void do_tdhf_dynamics (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const Molecule &molecule, const Molecule &extraCharges, const SCF::MatOptions &matOpts, const JK::ExchWeights &CAM_params, const JK::Params &J_K_params, const symmMatrix &FockMatrix, const symmMatrix &densityMatrix, const symmMatrix &S_symm, const triangMatrix &invCholFactor, const ED::Params &params)
 

Detailed Description

Implementation of TDHF electron dynamics, explicitly propagating the electron density in time in the precence of a time-dependent electric field.

Author
: Elias Rudberg responsible

Function Documentation

◆ do_tdhf_dynamics()